1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one

C18H32N2O — CID 82524193

IUPAC1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one
SMILESCC(C)CCn1c(C(C)C)ccc(CNCC(C)C)c1=O
InChIInChI=1S/C18H32N2O/c1-13(2)9-10-20-17(15(5)6)8-7-16(18(20)21)12-19-11-14(3)4/h7-8,13-15,19H,9-12H2,1-6H3
InChIKeyWNUOWFUZNAETNZ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.76
Rot. Bonds8

About 1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one

1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one (PubChem CID 82524193) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one
PubChem CID82524193
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one
SMILESCC(C)CCn1c(C(C)C)ccc(CNCC(C)C)c1=O
InChIInChI=1S/C18H32N2O/c1-13(2)9-10-20-17(15(5)6)8-7-16(18(20)21)12-19-11-14(3)4/h7-8,13-15,19H,9-12H2,1-6H3
InChIKeyWNUOWFUZNAETNZ-UHFFFAOYSA-N
XLogP3.76
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82524808
1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527314
6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82523492
6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 82523790
2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443125
1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one
CID 82524548
6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82519945
1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527082
4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one
CID 82443259
3-(chloromethyl)-1-(3-methylbutyl)-6-phenylpyridin-2-one
CID 82521073
2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid
CID 82521071
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one?
The IUPAC name of 1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one (CID 82524193) is 1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one is CC(C)CCn1c(C(C)C)ccc(CNCC(C)C)c1=O.
What is the InChIKey of 1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one?
The InChIKey is WNUOWFUZNAETNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-13(2)9-10-20-17(15(5)6)8-7-16(18(20)21)12-19-11-14(3)4/h7-8,13-15,19H,9-12H2,1-6H3.
What are the key properties of 1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one?
1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one has a molecular weight of 292.47 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82524193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).